1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine

C7H8F5N — CID 129271429

IUPAC1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine
SMILESFC(F)=C(F)C(F)(F)N1CCCC1
InChIInChI=1S/C7H8F5N/c8-5(6(9)10)7(11,12)13-3-1-2-4-13/h1-4H2
InChIKeyAZGISHPKTXRIHS-UHFFFAOYSA-N
MW201.14 g/mol
LogP2.75
Rot. Bonds2

About 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine

1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine (PubChem CID 129271429) has the molecular formula C7H8F5N and a molecular weight of 201.14 g/mol. Its IUPAC name is 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine
PubChem CID129271429
Molecular FormulaC7H8F5N
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine
SMILESFC(F)=C(F)C(F)(F)N1CCCC1
InChIInChI=1S/C7H8F5N/c8-5(6(9)10)7(11,12)13-3-1-2-4-13/h1-4H2
InChIKeyAZGISHPKTXRIHS-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine?
The IUPAC name of 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine (CID 129271429) is 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine.
What is the SMILES notation for 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine?
The canonical SMILES for 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine is FC(F)=C(F)C(F)(F)N1CCCC1.
What is the InChIKey of 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine?
The InChIKey is AZGISHPKTXRIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5N/c8-5(6(9)10)7(11,12)13-3-1-2-4-13/h1-4H2.
What are the key properties of 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine?
1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine has a molecular weight of 201.14 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3-pentafluoroprop-2-enyl)pyrrolidine is sourced from PubChem (CID 129271429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).